dioctadecyl-[2,4,6-tris(fluoranyl)phenyl]azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide

Systemtic Name: dioctadecyl-[2,4,6-tris(fluoranyl)phenyl]azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide Openeye Name: dioctadecyl-(2,4,6-trifluorophenyl)ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide CAS Name: dioctadecyl-(2,4,6-trifluorophenyl)ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide IUPAC Name: dioctadecyl-(2,4,6-trifluorophenyl)azanium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Traditional Name: distearyl-(2,4,6-trifluorophenyl)ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Formula: C66H77BF23N MolecularWeight: 1332.098554

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C1=C(C=C(C=C1F)F)F

Isomeric SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C1=C(C=C(C=C1F)F)F

InChI

InChI=1S/C42H76F3N.C24BF20/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46(42-40(44)37-39(43)38-41(42)45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h37-38H,3-36H2,1-2H3;/q;-1/p+1